1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid

C14H16N2O3S — CID 79325047

IUPAC1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
SMILESCCC(NC(=O)Cn1cccc1C(=O)O)c1cccs1
InChIInChI=1S/C14H16N2O3S/c1-2-10(12-6-4-8-20-12)15-13(17)9-16-7-3-5-11(16)14(18)19/h3-8,10H,2,9H2,1H3,(H,15,17)(H,18,19)
InChIKeySXOOAPIZSDCLAX-UHFFFAOYSA-N
MW292.36 g/mol
LogP2.52
Rot. Bonds6

About 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid

1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid (PubChem CID 79325047) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
PubChem CID79325047
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid
SMILESCCC(NC(=O)Cn1cccc1C(=O)O)c1cccs1
InChIInChI=1S/C14H16N2O3S/c1-2-10(12-6-4-8-20-12)15-13(17)9-16-7-3-5-11(16)14(18)19/h3-8,10H,2,9H2,1H3,(H,15,17)(H,18,19)
InChIKeySXOOAPIZSDCLAX-UHFFFAOYSA-N
XLogP2.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-(1,4-diazepan-1-yl)-N-(1-thiophen-2-ylpropyl)acetamide
CID 62832743
1-[2-(1-methoxybutan-2-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79325278
1-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114176556
1-[2-[(2-methyl-2-thiophen-2-ylpropyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 80524381
1-[2-oxo-2-[[1-oxo-1-(propylamino)propan-2-yl]amino]ethyl]pyrrole-2-carboxylic acid
CID 79324616
1-[2-(4-methylsulfinylbutan-2-ylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 113493694
4-chloro-N-(1-thiophen-2-ylpropyl)butanamide
CID 63308382
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
2-(5-amino-2-oxo-1-pyridinyl)-N-(1-thiophen-2-ylbutyl)acetamide
CID 62816363
3-oxo-3-(1-thiophen-2-ylbutylamino)propanoic acid
CID 62231148

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid (CID 79325047) is 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid is CCC(NC(=O)Cn1cccc1C(=O)O)c1cccs1.
What is the InChIKey of 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid?
The InChIKey is SXOOAPIZSDCLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-10(12-6-4-8-20-12)15-13(17)9-16-7-3-5-11(16)14(18)19/h3-8,10H,2,9H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid?
1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid has a molecular weight of 292.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(1-thiophen-2-ylpropylamino)ethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).